Three-dimensional model of a substrate-bound SARS chymotrypsin-like cysteine proteinase predicted by multiple molecular dynamics simulations: Catalytic efficiency regulated by substrate binding

Proteins: Structure, Function and Genetics

Volumn 57, Issue 4, 2004, Pages 747-757

  Pang, Yuan Ping ^a  

^a Mayo Clinic   (United States)

Author keywords

3CL PRO; Anti SARS CoV drugs; Coronavirus; Main proteinase; Protein modeling

Indexed keywords

ALANYLTHREONYLVALYLARGINYLLEUCYLGLUTAMINYLALANINE; AMINO ACID; ANTIVIRUS AGENT; ASPARTIC ACID; CHYMOTRYPSIN; CHYMOTRYPSIN LIKE CYSTEINE PROTEINASE; CYSTEINE; CYSTEINE PROTEINASE; HISTIDINE; UNCLASSIFIED DRUG; WATER;

AMINO ACID SEQUENCE; ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CORONAVIRUS; DRUG DESIGN; DRUG TARGETING; ENZYME SUBSTRATE COMPLEX; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; NUCLEOTIDE SEQUENCE; PRIORITY JOURNAL; PROTEIN DATA BANK; SEQUENCE HOMOLOGY; SEVERE ACUTE RESPIRATORY SYNDROME; SIMULATION; THEORETICAL MODEL; VIRUS REPLICATION;

ACETYLCHOLINESTERASE; AMINO ACID SEQUENCE; BINDING SITES; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYSTEINE ENDOPEPTIDASES; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SARS VIRUS; SEQUENCE ALIGNMENT; STRUCTURAL HOMOLOGY, PROTEIN;

CORONAVIRUS;

EID: 10344222619     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20249     Document Type: Article

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